[2-(cyclopentylmethylsulfanyl)-4-methylcyclohexyl]methanamine

C14H27NS — CID 63119708

IUPAC[2-(cyclopentylmethylsulfanyl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(SCC2CCCC2)C1
InChIInChI=1S/C14H27NS/c1-11-6-7-13(9-15)14(8-11)16-10-12-4-2-3-5-12/h11-14H,2-10,15H2,1H3
InChIKeyJBCRMNKPWDZBIQ-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.67
Rot. Bonds4

About [2-(cyclopentylmethylsulfanyl)-4-methylcyclohexyl]methanamine

[2-(cyclopentylmethylsulfanyl)-4-methylcyclohexyl]methanamine (PubChem CID 63119708) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is [2-(cyclopentylmethylsulfanyl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(cyclopentylmethylsulfanyl)-4-methylcyclohexyl]methanamine
PubChem CID63119708
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name[2-(cyclopentylmethylsulfanyl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(SCC2CCCC2)C1
InChIInChI=1S/C14H27NS/c1-11-6-7-13(9-15)14(8-11)16-10-12-4-2-3-5-12/h11-14H,2-10,15H2,1H3
InChIKeyJBCRMNKPWDZBIQ-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylmethylsulfanyl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(cyclopentylmethylsulfanyl)-4-methylcyclohexyl]methanamine (CID 63119708) is [2-(cyclopentylmethylsulfanyl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(cyclopentylmethylsulfanyl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(cyclopentylmethylsulfanyl)-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(SCC2CCCC2)C1.
What is the InChIKey of [2-(cyclopentylmethylsulfanyl)-4-methylcyclohexyl]methanamine?
The InChIKey is JBCRMNKPWDZBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-11-6-7-13(9-15)14(8-11)16-10-12-4-2-3-5-12/h11-14H,2-10,15H2,1H3.
What are the key properties of [2-(cyclopentylmethylsulfanyl)-4-methylcyclohexyl]methanamine?
[2-(cyclopentylmethylsulfanyl)-4-methylcyclohexyl]methanamine has a molecular weight of 241.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylmethylsulfanyl)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 63119708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).